RISM-MOL

Tool for fast and accurate Hydration Free Energies calculations

Key Fetures:

  • Fast multi-grid RISM solver
        ( ~10 sec of calculation per drug like molecule (20-40 atoms ))

  • Six different Hydration Free Energy expressions

  • Flexible settings
        Different closures, force-fields etc.
    • Download RISM-MOL
    Download User Manual
    How to start
    		System requirements
  • Windows XP or Linux
  • The MathWorks Matlab (R) version 6 or later